[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine

C12H16FNO — CID 117298894

IUPAC[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)cc(F)c1C
InChIInChI=1S/C12H16FNO/c1-8-10(13)5-9(6-11(8)15-2)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyWLBMBGCCRDIHEW-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.13
Rot. Bonds3

About [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine

[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine (PubChem CID 117298894) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
PubChem CID117298894
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)cc(F)c1C
InChIInChI=1S/C12H16FNO/c1-8-10(13)5-9(6-11(8)15-2)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyWLBMBGCCRDIHEW-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
CID 84791834
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine (CID 117298894) is [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine is COc1cc(C2(CN)CC2)cc(F)c1C.
What is the InChIKey of [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine?
The InChIKey is WLBMBGCCRDIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-10(13)5-9(6-11(8)15-2)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine?
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117298894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).